Geometry & MOs

Info

ID:	400770
PubChem CID:	135049030
Reduced:	BNO3C27H36 (1)
Stoich.:	ABC3D27E36 (1)
Weight, g/mol:	383.263174
ΔH_f, kcal/mol:	-139.86
Dipole, Da:	5.59
IP(EA), eV:	-9.04(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-benzyl-3-[(1Z)-1-dibutylboranyloxypenta-1,4-dienyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

B(CCCC)(CCCC)O/C(=C\CC1=CC=CC=C1)/N2[C@H](COC2=O)CC3=CC=CC=C3

DOS

IR

Vibrations